methyl 2-(2-bromanyl-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepin-6-yl)ethanoate

Systemtic Name: methyl 2-(2-bromanyl-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepin-6-yl)ethanoate Openeye Name: methyl 2-(2-bromo-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepin-6-yl)acetate CAS Name: 2-(2-bromo-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepin-6-yl)acetic acid methyl ester IUPAC Name: methyl 2-(2-bromo-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepin-6-yl)acetate Traditional Name: 2-(2-bromo-11-methyl-5,6-dihydrobenzo[b][1,4]benzodiazepin-6-yl)acetic acid methyl ester Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(NC3=C1C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C(NC3=C1C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C17H17BrN2O2/c1-20-15-6-4-3-5-12(15)14(10-17(21)22-2)19-13-8-7-11(18)9-16(13)20/h3-9,14,19H,10H2,1-2H3